≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CC(=CC=C1C(=O)C2=CNC(=C2)C(=O)C(Cl)(Cl)Cl)F |
|---|---|
| IUPAC Name | 2,2,2-trichloro-1-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]ethanone |
| InChIKey | DSGDPASOJJFYRF-UHFFFAOYSA-N |
| INCHI | 1S/C13H7Cl3FNO2/c14-13(15,16)12(20)10-5-8(6-18-10)11(19)7-1-3-9(17)4-2-7/h1-6,18H |
| Isómeros SMILES | C1=CC(=CC=C1C(=O)C2=CNC(=C2)C(=O)C(Cl)(Cl)Cl)F |
| PubChem CID | 2783062 |
| Peso molecular | 334.56 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Aryl alkyl ketones Benzoyl derivatives Fluorobenzenes Substituted pyrroles Aryl fluorides Vinylogous amides Alpha-chloroketones Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds Alkyl chlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Vinylogous amide - Heteroaromatic compound - Alpha-haloketone - Alpha-chloroketone - Pyrrole - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl chloride - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Punto de fusión (°C) | 202-204 |
|---|---|
| Peso molecular | 334.600 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 332.953 Da |
| Monoisotopic Mass | 332.953 Da |
| Topological Polar Surface Area | 49.900 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 392.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2,2,2-Trichloro-1-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-1-ethanone - ≥97% CAS No(453557-67-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/1/T1029282.jpg)